REMARK  Name = BDB026385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.022   0.820  -0.802  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        2.739  -0.177   0.143  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        1.418  -0.396   0.489  0.00  0.00    +0.071 A 
ATOM      4  N   LIG    1        0.866  -1.334   1.370  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1       -0.534  -1.191   1.376  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -0.827  -0.113   0.510  0.00  0.00    -0.280 N 
ATOM      7  O   LIG    1       -1.341  -1.863   2.000  0.00  0.00    -0.246 OA
ATOM      8  C   LIG    1        1.605  -2.331   2.089  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        0.373   0.357  -0.046  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1        0.615   1.366  -0.949  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.950   1.598  -1.309  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.160   0.347   0.186  0.00  0.00    +0.179 C 
ATOM     13  C   LIG    1       -2.890  -0.703  -0.664  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -2.331  -1.441  -1.474  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.264  -0.707  -0.567  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.743  -1.378  -1.151  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -5.064   0.152   0.145  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -6.286   0.117   0.035  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.361   1.190   0.987  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1       -2.986   0.710   1.421  0.00  0.00    +0.044 C 
ENDBRANCH   6  12
BRANCH   1  22
ATOM     21  C   LIG    1        5.412   0.239  -0.974  0.00  0.00    +0.125 C 
ATOM     22  N   LIG    1        4.324   1.180  -1.175  0.00  0.00    -0.347 N 
ATOM     23  H   LIG    1        4.348   1.613  -2.095  0.00  0.00    +0.146 HD
ENDBRANCH   1  22
TORSDOF 2